4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-hexyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-hexyl-1,4-diazepane-1-carboxamide Openeye Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-hexyl-1,4-diazepane-1-carboxamide CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-hexyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-hexyl-1,4-diazepane-1-carboxamide Traditional Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-hexyl-1,4-diazepane-1-carboxamide Formula: C18H26ClF3N4O MolecularWeight: 406.87345

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)N1CCCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CCCCCCNC(=O)N1CCCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C18H26ClF3N4O/c1-2-3-4-5-7-23-17(27)26-9-6-8-25(10-11-26)16-15(19)12-14(13-24-16)18(20,21)22/h12-13H,2-11H2,1H3,(H,23,27)